3-[(3-methoxyphenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-methoxyphenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-methoxyphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-methoxyphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-methoxyphenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H16N2O3S/c1-10-6-7-11(15(19)20)8-14(10)18-16(22)17-12-4-3-5-13(9-12)21-2/h3-9H,1-2H3,(H,19,20)(H2,17,18,22)